2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide

Systemtic Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide Openeye Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide CAS Name: 2-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-N-[(4-fluorophenyl)methyl]-1-pyrazolidinecarboxamide IUPAC Name: 2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-N-(4-fluorobenzyl)pyrazolidine-1-carboxamide Formula: C20H27FN4OS MolecularWeight: 390.517983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN2C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4OS/c21-18-9-7-17(8-10-18)15-23-19(26)24-13-4-14-25(24)20(27)22-12-11-16-5-2-1-3-6-16/h5,7-10H,1-4,6,11-15H2,(H,22,27)(H,23,26)